2-(2,6-dimethylhept-5-enyl)-1H-imidazole

C12H20N2 — CID 57339817

IUPAC2-(2,6-dimethylhept-5-enyl)-1H-imidazole
SMILESCC(C)=CCCC(C)Cc1ncc[nH]1
InChIInChI=1S/C12H20N2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,13,14)
InChIKeyVFNXTSLJXQNZHO-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.33
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-1H-imidazole

2-(2,6-dimethylhept-5-enyl)-1H-imidazole (PubChem CID 57339817) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-1H-imidazole
PubChem CID57339817
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(2,6-dimethylhept-5-enyl)-1H-imidazole
SMILESCC(C)=CCCC(C)Cc1ncc[nH]1
InChIInChI=1S/C12H20N2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,13,14)
InChIKeyVFNXTSLJXQNZHO-UHFFFAOYSA-N
XLogP3.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethylhept-5-enyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylhept-5-enyl)-1H-imidazole?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-1H-imidazole (CID 57339817) is 2-(2,6-dimethylhept-5-enyl)-1H-imidazole.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-1H-imidazole?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-1H-imidazole is CC(C)=CCCC(C)Cc1ncc[nH]1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-1H-imidazole?
The InChIKey is VFNXTSLJXQNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,7-8,11H,4,6,9H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-1H-imidazole?
2-(2,6-dimethylhept-5-enyl)-1H-imidazole has a molecular weight of 192.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-1H-imidazole is sourced from PubChem (CID 57339817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).